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We report on a study of the autocorrelation times of the local version of the Hybrid Monte Carlo (LHMC) algorithm for pure gauge $SU(3)$. We compare LHMC to standard multi-hit Metropolis and to the global version of the same HMC. For every…

We discuss how the integrators used for the Hybrid Monte Carlo (HMC) algorithm not only approximately conserve some Hamiltonian $H$ but exactly conserve a nearby shadow Hamiltonian (\tilde H), and how the difference $\Delta H \equiv \tilde…

A grand canonical Monte Carlo (MC) algorithm is presented for studying the lattice gas model (LGM) of multiple protein sequence alignment, which coherently combines long-range interactions and variable-length insertions. MC simulations are…

Using a functional renormalization group approach, we study interaction-driven instabilities in quadratic band crossing point two-orbital models in two dimensions, extending a previous study of Sun et al. [1]. The wavevector-dependence of…

There has been much recent progress in the understanding and reduction of the computational cost of the Hybrid Monte Carlo algorithm for Lattice QCD as the quark mass parameter is reduced. In this letter we present a new solution to this…

We present a method for direct hybrid Monte Carlo simulation of graphene on the hexagonal lattice. We compare the results of the simulation with exact results for a unit hexagonal cell system, where the Hamiltonian can be solved…

Polynomial approximations to the inverse of the fermion matrix are used to filter the dynamics of the upper energy scales in HMC simulations. The use of a multiple time-scale integration scheme allows the filtered pseudofermions to be…

I review recent machine trends and algorithmic developments for dynamical lattice QCD simulations with the HMC algorithm for Wilson-type fermions. The topics include the trend toward multi-core processors and general purpose GPU (GPGPU)…

The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…

We investigate the applicability of Quasi-Monte Carlo methods to Euclidean lattice systems for quantum mechanics in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable…

We investigate the properties of the Hybrid Monte-Carlo algorithm (HMC) in high dimensions. HMC develops a Markov chain reversible w.r.t. a given target distribution $\Pi$ by using separable Hamiltonian dynamics with potential $-\log\Pi$.…

Monte Carlo simulations applied to the lattice formulation of quantum chromodynamics (QCD) enable a study of the theory from first principles, in a nonperturbative way. After over two decades of developments in the methodology for this…

The hybrid Monte Carlo (HMC) algorithm is a ubiquitous method in computational physics with applications ranging from condensed matter to lattice QCD and beyond. However, HMC simulations often suffer from long autocorrelation times,…

We study the improvement of simulations of QCD with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering. As an indicator for decorrelation we use the topological charge.

We study a novel class of numerical integrators, the adapted nested force-gradient schemes, used within the molecular dynamics step of the Hybrid Monte Carlo (HMC) algorithm. We test these methods in the Schwinger model on the lattice, a…

We present a polynomial hybrid Monte Carlo (PHMC) algorithm for lattice QCD with odd numbers of flavors of O(a)-improved Wilson quark action. The algorithm makes use of the non-Hermitian Chebyshev polynomial to approximate the inverse…

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow…

The Hamiltonian formulation of Lattice QCD with staggered fermions in the strong coupling limit has no sign problem at non-zero baryon density and allows for Quantum Monte Carlo simulations. We have extended this formalism to two flavors,…

We discuss the main aspects of the fixed-node quantum Monte Carlo method for lattice fermions and its recent application to the problem of phase separation in the 2D Hubbard model, along with virtues, limitations and perspectives of this…

In order to solve quantum field theory in a non-perturbative way, Lagrangian lattice simulations have been very successful. Here we discuss a recently proposed alternative Hamiltonian lattice formulation - the Monte Carlo Hamiltonian. In…